N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide

C14H15NO3 — CID 25239380

IUPACN-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc(CO)o2)c(C)c1
InChIInChI=1S/C14H15NO3/c1-9-7-11(15-10(2)17)3-5-13(9)14-6-4-12(8-16)18-14/h3-7,16H,8H2,1-2H3,(H,15,17)
InChIKeyGODZSOSLSWHYLX-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.71
Rot. Bonds3

About N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide

N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide (PubChem CID 25239380) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide
PubChem CID25239380
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC NameN-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc(CO)o2)c(C)c1
InChIInChI=1S/C14H15NO3/c1-9-7-11(15-10(2)17)3-5-13(9)14-6-4-12(8-16)18-14/h3-7,16H,8H2,1-2H3,(H,15,17)
InChIKeyGODZSOSLSWHYLX-UHFFFAOYSA-N
XLogP2.71
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-4-methylpentanamide
CID 28665965
(E)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-3-phenylprop-2-enamide
CID 28677651
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-1,3-benzodioxole-5-carboxamide
CID 28670990
(E)-3-(furan-2-yl)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]prop-2-enamide
CID 28677993
4-chloro-N-[[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]carbamothioyl]benzamide
CID 28687213
2-(4-ethylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide
CID 28675840
4-[5-(hydroxymethyl)furan-2-yl]-3-methylbenzoate
CID 6953179
5-(3-chloro-4-fluorophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]furan-2-carboxamide
CID 28670575
3-butoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]benzamide
CID 28672317
2-(4-cyclohexylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide
CID 28677469
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 28674601
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-2,2-dimethylpropanamide
CID 28666099

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide?
The IUPAC name of N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide (CID 25239380) is N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide.
What is the SMILES notation for N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide?
The canonical SMILES for N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide is CC(=O)Nc1ccc(-c2ccc(CO)o2)c(C)c1.
What is the InChIKey of N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide?
The InChIKey is GODZSOSLSWHYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9-7-11(15-10(2)17)3-5-13(9)14-6-4-12(8-16)18-14/h3-7,16H,8H2,1-2H3,(H,15,17).
What are the key properties of N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide?
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide has a molecular weight of 245.28 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide is sourced from PubChem (CID 25239380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).